1-thiophen-3-ylcyclopentane-1-carbonyl chloride

C10H11ClOS — CID 45081256

IUPAC1-thiophen-3-ylcyclopentane-1-carbonyl chloride
SMILESO=C(Cl)C1(c2ccsc2)CCCC1
InChIInChI=1S/C10H11ClOS/c11-9(12)10(4-1-2-5-10)8-3-6-13-7-8/h3,6-7H,1-2,4-5H2
InChIKeyBYXSAYGWFPIJEA-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.33
Rot. Bonds2

About 1-thiophen-3-ylcyclopentane-1-carbonyl chloride

1-thiophen-3-ylcyclopentane-1-carbonyl chloride (PubChem CID 45081256) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-thiophen-3-ylcyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Name1-thiophen-3-ylcyclopentane-1-carbonyl chloride
PubChem CID45081256
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name1-thiophen-3-ylcyclopentane-1-carbonyl chloride
SMILESO=C(Cl)C1(c2ccsc2)CCCC1
InChIInChI=1S/C10H11ClOS/c11-9(12)10(4-1-2-5-10)8-3-6-13-7-8/h3,6-7H,1-2,4-5H2
InChIKeyBYXSAYGWFPIJEA-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylcyclopentane-1-carbonyl chloride?
The IUPAC name of 1-thiophen-3-ylcyclopentane-1-carbonyl chloride (CID 45081256) is 1-thiophen-3-ylcyclopentane-1-carbonyl chloride.
What is the SMILES notation for 1-thiophen-3-ylcyclopentane-1-carbonyl chloride?
The canonical SMILES for 1-thiophen-3-ylcyclopentane-1-carbonyl chloride is O=C(Cl)C1(c2ccsc2)CCCC1.
What is the InChIKey of 1-thiophen-3-ylcyclopentane-1-carbonyl chloride?
The InChIKey is BYXSAYGWFPIJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-9(12)10(4-1-2-5-10)8-3-6-13-7-8/h3,6-7H,1-2,4-5H2.
What are the key properties of 1-thiophen-3-ylcyclopentane-1-carbonyl chloride?
1-thiophen-3-ylcyclopentane-1-carbonyl chloride has a molecular weight of 214.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylcyclopentane-1-carbonyl chloride is sourced from PubChem (CID 45081256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).